2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

C13H19NO2 — CID 116566096

IUPAC2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-14-13(2,3)12(15)10-7-6-8-11(9-10)16-4/h6-9,14H,5H2,1-4H3
InChIKeyJJQLQUIKAXERQA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds5

About 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 116566096) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
PubChem CID116566096
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-5-14-13(2,3)12(15)10-7-6-8-11(9-10)16-4/h6-9,14H,5H2,1-4H3
InChIKeyJJQLQUIKAXERQA-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-2-(ethylamino)-2-methylpropan-1-one
CID 116566228
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
6-amino-1-(3-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574825
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588593

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one (CID 116566096) is 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one is CCNC(C)(C)C(=O)c1cccc(OC)c1.
What is the InChIKey of 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is JJQLQUIKAXERQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14-13(2,3)12(15)10-7-6-8-11(9-10)16-4/h6-9,14H,5H2,1-4H3.
What are the key properties of 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one?
2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116566096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).